1-propyladamantan-2-amine

C13H23N — CID 141138737

IUPAC1-propyladamantan-2-amine
SMILESCCCC12CC3CC(CC(C3)C1N)C2
InChIInChI=1S/C13H23N/c1-2-3-13-7-9-4-10(8-13)6-11(5-9)12(13)14/h9-12H,2-8,14H2,1H3
InChIKeyBLSYGELBOKQTQE-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.94
Rot. Bonds2

About 1-propyladamantan-2-amine

1-propyladamantan-2-amine (PubChem CID 141138737) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-propyladamantan-2-amine.

Molecular Properties

Compound Name1-propyladamantan-2-amine
PubChem CID141138737
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-propyladamantan-2-amine
SMILESCCCC12CC3CC(CC(C3)C1N)C2
InChIInChI=1S/C13H23N/c1-2-3-13-7-9-4-10(8-13)6-11(5-9)12(13)14/h9-12H,2-8,14H2,1H3
InChIKeyBLSYGELBOKQTQE-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 173183880
CID 173183880
(2S)-2-cyclohexyl-3-propyladamantan-1-amine
CID 90742257
(5S,7R)-1-dodecyl-N-ethyladamantan-2-amine
CID 24806904
2-propyladamantan-1-amine
CID 70624849
1,2,3-tripropyladamantan-2-amine
CID 175059310
2-tert-butyl-1-propylbicyclo[2.2.1]heptane
CID 140891046
(5S,7R)-1-(hydroxymethyl)adamantan-2-ol
CID 102508156
(2S,5S,7S)-1-(hydroxymethyl)adamantan-2-ol
CID 124583912
2-(2-methyl-1-adamantyl)acetamide
CID 166176592
2-(2-amino-1-adamantyl)propanoic acid
CID 70418861
(5S,7R)-2-bromo-1-(bromomethyl)adamantane
CID 11174290
1-hexyladamantane
CID 585171

Frequently Asked Questions

What is the IUPAC name of 1-propyladamantan-2-amine?
The IUPAC name of 1-propyladamantan-2-amine (CID 141138737) is 1-propyladamantan-2-amine.
What is the SMILES notation for 1-propyladamantan-2-amine?
The canonical SMILES for 1-propyladamantan-2-amine is CCCC12CC3CC(CC(C3)C1N)C2.
What is the InChIKey of 1-propyladamantan-2-amine?
The InChIKey is BLSYGELBOKQTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-2-3-13-7-9-4-10(8-13)6-11(5-9)12(13)14/h9-12H,2-8,14H2,1H3.
What are the key properties of 1-propyladamantan-2-amine?
1-propyladamantan-2-amine has a molecular weight of 193.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyladamantan-2-amine is sourced from PubChem (CID 141138737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).